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Alloc-Lys (Boc) -OH.DCHA

CAT: 0127-OR1102824-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1102824-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110637-53-1
MDL Number
MFCD03093491
Purity
98%
Smiles
OC ([C@@H] (NC (OCC=C) =O) CCCCNC (OC (C) (C) C) =O) =O.C1 (NC2CCCCC2) CCCCC1

Chemical Information

Aloc-L-lys(boc)-OH dcha
CAS Number110637-53-1
PubChem CID56777092
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(prop-2-enoxycarbonylamino)hexanoic acid
Molecular FormulaC27H49N3O6
Molecular Weight511.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count36
Formal Charge0
Complexity533
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC=C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C15H26N2O6.C12H23N/c1-5-10-22-14(21)17-11(12(18)19)8-6-7-9-16-13(20)23-15(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,11H,1,6-10H2,2-4H3,(H,16,20)(H,17,21)(H,18,19);11-13H,1-10H2/t11-;/m0./s1
InChIKey
LCXGOTRBZAEQQR-MERQFXBCSA-N
Chemical Structure
2D Structure
2D structure of Aloc-L-lys(boc)-OH dcha
CAS: 110637-53-1
CID: 56777092
Formula: C27H49N3O6
MW: 511.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight511.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass511.36213629
Monoisotopic Mass511.36213629
Topological Polar Surface Area126 Ų
Heavy Atom Count36
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes